Ethyl Acetate → 4-[3-(3-Butyl-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-6-fluoro-1,4-benzoxazin-3-one
Reaction equation
[CH2:18]([CH2:19][CH2:20][CH3:21])[CH:22]1[CH2:23][CH:24]2[CH2:25][CH2:26][CH:27]([CH2:28]1)[NH:29]2.[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:12][CH:13]([CH2:14][I:15])[CH3:16])[C:8](=[O:11])[CH2:9][O:10]2>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:12][CH:13]([CH2:14][N:29]1[CH:24]3[CH2:23][CH:22]([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:28][CH:27]1[CH2:26][CH2:25]3)[CH3:16])[C:8](=[O:11])[CH2:9][O:10]2Participants
5
Sources & evidence
- ORD record
- ord-66086fb6dc6c4d268bba187d9eaf451f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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